4-amino-3-[[4-[4-[(1-amino-4-sulfamoylnaphthalen-2-yl)diazenyl]-3-(trifluoromethoxy)phenyl]-2-(trifluoromethoxy)phenyl]diazenyl]naphthalene-1-sulfonamide

C34H24F6N8O6S2 — CID 162614417

IUPAC4-amino-3-[[4-[4-[(1-amino-4-sulfamoylnaphthalen-2-yl)diazenyl]-3-(trifluoromethoxy)phenyl]-2-(trifluoromethoxy)phenyl]diazenyl]naphthalene-1-sulfonamide
SMILESNc1c(/N=N/c2ccc(-c3ccc(/N=N/c4cc(S(N)(=O)=O)c5ccccc5c4N)c(OC(F)(F)F)c3)cc2OC(F)(F)F)cc(S(N)(=O)=O)c2ccccc12
InChIInChI=1S/C34H24F6N8O6S2/c35-33(36,37)53-27-13-17(9-11-23(27)45-47-25-15-29(55(43,49)50)19-5-1-3-7-21(19)31(25)41)18-10-12-24(28(14-18)54-34(38,39)40)46-48-26-16-30(56(44,51)52)20-6-2-4-8-22(20)32(26)42/h1-16H,41-42H2,(H2,43,49,50)(H2,44,51,52)/b47-45+,48-46+
InChIKeyBBPXVSCMWDOPAR-MLGMXDONSA-N
MW818.74 g/mol
LogP8.75
Rot. Bonds9

About 4-amino-3-[[4-[4-[(1-amino-4-sulfamoylnaphthalen-2-yl)diazenyl]-3-(trifluoromethoxy)phenyl]-2-(trifluoromethoxy)phenyl]diazenyl]naphthalene-1-sulfonamide

4-amino-3-[[4-[4-[(1-amino-4-sulfamoylnaphthalen-2-yl)diazenyl]-3-(trifluoromethoxy)phenyl]-2-(trifluoromethoxy)phenyl]diazenyl]naphthalene-1-sulfonamide (PubChem CID 162614417) has the molecular formula C34H24F6N8O6S2 and a molecular weight of 818.74 g/mol. Its IUPAC name is 4-amino-3-[[4-[4-[(1-amino-4-sulfamoylnaphthalen-2-yl)diazenyl]-3-(trifluoromethoxy)phenyl]-2-(trifluoromethoxy)phenyl]diazenyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound Name4-amino-3-[[4-[4-[(1-amino-4-sulfamoylnaphthalen-2-yl)diazenyl]-3-(trifluoromethoxy)phenyl]-2-(trifluoromethoxy)phenyl]diazenyl]naphthalene-1-sulfonamide
PubChem CID162614417
Molecular FormulaC34H24F6N8O6S2
Molecular Weight818.74 g/mol
Exact Mass818.12
IUPAC Name4-amino-3-[[4-[4-[(1-amino-4-sulfamoylnaphthalen-2-yl)diazenyl]-3-(trifluoromethoxy)phenyl]-2-(trifluoromethoxy)phenyl]diazenyl]naphthalene-1-sulfonamide
SMILESNc1c(/N=N/c2ccc(-c3ccc(/N=N/c4cc(S(N)(=O)=O)c5ccccc5c4N)c(OC(F)(F)F)c3)cc2OC(F)(F)F)cc(S(N)(=O)=O)c2ccccc12
InChIInChI=1S/C34H24F6N8O6S2/c35-33(36,37)53-27-13-17(9-11-23(27)45-47-25-15-29(55(43,49)50)19-5-1-3-7-21(19)31(25)41)18-10-12-24(28(14-18)54-34(38,39)40)46-48-26-16-30(56(44,51)52)20-6-2-4-8-22(20)32(26)42/h1-16H,41-42H2,(H2,43,49,50)(H2,44,51,52)/b47-45+,48-46+
InChIKeyBBPXVSCMWDOPAR-MLGMXDONSA-N
XLogP8.75
TPSA240.26 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500818.74
LogP ≤ 58.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 4-amino-3-[[4-[4-[(1-amino-4-sulfamoylnaphthalen-2-yl)diazenyl]-3-(trifluoromethoxy)phenyl]-2-(trifluoromethoxy)phenyl]diazenyl]naphthalene-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-3-[[4-[4-[(1-amino-4-sulfamoylnaphthalen-2-yl)diazenyl]-3-fluorophenyl]-2-fluorophenyl]diazenyl]naphthalene-1-sulfonamide
CID 153382327
4-hydroxy-3-[[4-[4-[(1-hydroxy-4-sulfonaphthalen-2-yl)diazenyl]-3-(trifluoromethoxy)phenyl]-2-methylphenyl]diazenyl]naphthalene-1-sulfonic acid
CID 157303316
4-amino-3-[[4-[4-[(1-amino-4-sulfamoylnaphthalen-2-yl)diazenyl]-3,5-dichlorophenyl]-2,6-dichlorophenyl]diazenyl]naphthalene-1-sulfonamide
CID 153382297
2-chloro-4-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 134625852
2-[[2-(trifluoromethoxy)phenyl]diazenyl]phenol
CID 136634508
2-(difluoromethyl)-3-(trifluoromethoxy)benzenesulfonamide
CID 170998891
5-iodo-2-(trifluoromethoxy)benzenesulfonamide
CID 170998338
2-chloro-4-[3-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 134626076
1-amino-4-[[4-[4-[(4-amino-3-sulfonaphthalen-1-yl)diazenyl]-3-propylphenyl]-2-propylphenyl]diazenyl]naphthalene-2-sulfonic acid
CID 153382275
3-[[4-[3-ethoxy-4-[(1-hydroxy-4-sulfonaphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]-4-hydroxynaphthalene-1-sulfonic acid
CID 136714850
4-amino-3-[[4-[(E)-2-phenylethenyl]phenyl]diazenyl]naphthalene-1-sulfonic acid
CID 102244456
disodium;4-amino-3-[[4-[4-[(2-hydroxy-8-sulfonaphthalen-1-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-1-sulfonic acid
CID 139595340

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[[4-[4-[(1-amino-4-sulfamoylnaphthalen-2-yl)diazenyl]-3-(trifluoromethoxy)phenyl]-2-(trifluoromethoxy)phenyl]diazenyl]naphthalene-1-sulfonamide?
The IUPAC name of 4-amino-3-[[4-[4-[(1-amino-4-sulfamoylnaphthalen-2-yl)diazenyl]-3-(trifluoromethoxy)phenyl]-2-(trifluoromethoxy)phenyl]diazenyl]naphthalene-1-sulfonamide (CID 162614417) is 4-amino-3-[[4-[4-[(1-amino-4-sulfamoylnaphthalen-2-yl)diazenyl]-3-(trifluoromethoxy)phenyl]-2-(trifluoromethoxy)phenyl]diazenyl]naphthalene-1-sulfonamide.
What is the SMILES notation for 4-amino-3-[[4-[4-[(1-amino-4-sulfamoylnaphthalen-2-yl)diazenyl]-3-(trifluoromethoxy)phenyl]-2-(trifluoromethoxy)phenyl]diazenyl]naphthalene-1-sulfonamide?
The canonical SMILES for 4-amino-3-[[4-[4-[(1-amino-4-sulfamoylnaphthalen-2-yl)diazenyl]-3-(trifluoromethoxy)phenyl]-2-(trifluoromethoxy)phenyl]diazenyl]naphthalene-1-sulfonamide is Nc1c(/N=N/c2ccc(-c3ccc(/N=N/c4cc(S(N)(=O)=O)c5ccccc5c4N)c(OC(F)(F)F)c3)cc2OC(F)(F)F)cc(S(N)(=O)=O)c2ccccc12.
What is the InChIKey of 4-amino-3-[[4-[4-[(1-amino-4-sulfamoylnaphthalen-2-yl)diazenyl]-3-(trifluoromethoxy)phenyl]-2-(trifluoromethoxy)phenyl]diazenyl]naphthalene-1-sulfonamide?
The InChIKey is BBPXVSCMWDOPAR-MLGMXDONSA-N. The full InChI is InChI=1S/C34H24F6N8O6S2/c35-33(36,37)53-27-13-17(9-11-23(27)45-47-25-15-29(55(43,49)50)19-5-1-3-7-21(19)31(25)41)18-10-12-24(28(14-18)54-34(38,39)40)46-48-26-16-30(56(44,51)52)20-6-2-4-8-22(20)32(26)42/h1-16H,41-42H2,(H2,43,49,50)(H2,44,51,52)/b47-45+,48-46+.
What are the key properties of 4-amino-3-[[4-[4-[(1-amino-4-sulfamoylnaphthalen-2-yl)diazenyl]-3-(trifluoromethoxy)phenyl]-2-(trifluoromethoxy)phenyl]diazenyl]naphthalene-1-sulfonamide?
4-amino-3-[[4-[4-[(1-amino-4-sulfamoylnaphthalen-2-yl)diazenyl]-3-(trifluoromethoxy)phenyl]-2-(trifluoromethoxy)phenyl]diazenyl]naphthalene-1-sulfonamide has a molecular weight of 818.74 g/mol, XLogP of 8.75, 9 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[[4-[4-[(1-amino-4-sulfamoylnaphthalen-2-yl)diazenyl]-3-(trifluoromethoxy)phenyl]-2-(trifluoromethoxy)phenyl]diazenyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 162614417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).